Information card for entry 4023409

Structure parameters

• Formula: C46 H51 F24 N13 Ni2 O2 P4
• Calculated formula: C46 H51 F24 N13 Ni2 O2 P4
• Title of publication: Room-Temperature Kumada Cross-Coupling of Unactivated Aryl Chlorides Catalyzed by N-Heterocylic Carbene-Based Nickel(II) Complexes
• Authors of publication: Zhenxing Xi; Bin Liu; Wanzhi Chen
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2008
• Journal volume: 73
• Pages of publication: 3954 - 3957
• a: 7.519 ± 0.002 Å
• b: 10.2 ± 0.002 Å
• c: 21.656 ± 0.003 Å
• α: 93.79 ± 0.002°
• β: 95.328 ± 0.002°
• γ: 110.804 ± 0.003°
• Cell volume: 1537.1 ± 0.6 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1361
• Residual factor for significantly intense reflections: 0.0955
• Weighted residual factors for significantly intense reflections: 0.2373
• Weighted residual factors for all reflections included in the refinement: 0.2687
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No